Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50006381   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50499370 (CHEMBL3736339) Show SMILES COC(=O)C1=C(C)OP(=O)(OC)OCC1 |c:4| Show InChI InChI=1S/C8H13O6P/c1-6-7(8(9)11-2)4-5-13-15(10,12-3)14-6/h4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE at pH 6				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50499368 (CHEMBL3735606) Show SMILES COP1(=O)OCCC(C(=O)OC(C)(C)C)=C(C)O1 |t:14| Show InChI InChI=1S/C11H19O6P/c1-8-9(10(12)16-11(2,3)4)6-7-15-18(13,14-5)17-8/h6-7H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE at pH 6				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50499367 (CHEMBL3735042) Show SMILES CCOP1(=O)CCCC(C(=O)OC)=C(C)O1 |t:12| Show InChI InChI=1S/C10H17O5P/c1-4-14-16(12)7-5-6-9(8(2)15-16)10(11)13-3/h4-7H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE at pH 6				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50308515 (2-Methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambd...) Show SMILES COC(=O)C1=C(C)OP(=O)(CCC1)OC |c:4| Show InChI InChI=1S/C9H15O5P/c1-7-8(9(10)12-2)5-4-6-15(11,13-3)14-7/h4-6H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE at pH 6				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50499369 (CHEMBL3734787) Show SMILES CCOP1(=O)OC(C)=C(CCC1(F)F)C(=O)OC |c:7| Show InChI InChI=1S/C10H15F2O5P/c1-4-16-18(14)10(11,12)6-5-8(7(2)17-18)9(13)15-3/h4-6H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE at pH 6				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair